9-chlorohexacosane;N-methylmethanamine

C28H60ClN — CID 122613288

IUPAC9-chlorohexacosane;N-methylmethanamine
SMILESCCCCCCCCCCCCCCCCCC(Cl)CCCCCCCC.CNC
InChIInChI=1S/C26H53Cl.C2H7N/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-26(27)24-22-20-10-8-6-4-2;1-3-2/h26H,3-25H2,1-2H3;3H,1-2H3
InChIKeyVXTUCRLSWXEBMX-UHFFFAOYSA-N
MW446.25 g/mol
LogP10.44
Rot. Bonds23

About 9-chlorohexacosane;N-methylmethanamine

9-chlorohexacosane;N-methylmethanamine (PubChem CID 122613288) has the molecular formula C28H60ClN and a molecular weight of 446.25 g/mol. Its IUPAC name is 9-chlorohexacosane;N-methylmethanamine.

Molecular Properties

Compound Name9-chlorohexacosane;N-methylmethanamine
PubChem CID122613288
Molecular FormulaC28H60ClN
Molecular Weight446.25 g/mol
Exact Mass445.44
IUPAC Name9-chlorohexacosane;N-methylmethanamine
SMILESCCCCCCCCCCCCCCCCCC(Cl)CCCCCCCC.CNC
InChIInChI=1S/C26H53Cl.C2H7N/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-26(27)24-22-20-10-8-6-4-2;1-3-2/h26H,3-25H2,1-2H3;3H,1-2H3
InChIKeyVXTUCRLSWXEBMX-UHFFFAOYSA-N
XLogP10.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.25
LogP ≤ 510.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

12-chlorooctacosane;N-methylmethanamine
CID 122611467
17-chlorotritriacontane
CID 87852962
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
1-bromo-3-chloropentadecane
CID 122583656
azane;1,3-dichloropentadecane
CID 87123860
(2S)-1,2-dichlorododecane
CID 98052710
2-chlorooctadecan-1-ol
CID 14984660
N-methylmethanamine;octadecane
CID 18446151
7-chloro-1-iodoundecane
CID 122491544

Frequently Asked Questions

What is the IUPAC name of 9-chlorohexacosane;N-methylmethanamine?
The IUPAC name of 9-chlorohexacosane;N-methylmethanamine (CID 122613288) is 9-chlorohexacosane;N-methylmethanamine.
What is the SMILES notation for 9-chlorohexacosane;N-methylmethanamine?
The canonical SMILES for 9-chlorohexacosane;N-methylmethanamine is CCCCCCCCCCCCCCCCCC(Cl)CCCCCCCC.CNC.
What is the InChIKey of 9-chlorohexacosane;N-methylmethanamine?
The InChIKey is VXTUCRLSWXEBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53Cl.C2H7N/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-26(27)24-22-20-10-8-6-4-2;1-3-2/h26H,3-25H2,1-2H3;3H,1-2H3.
What are the key properties of 9-chlorohexacosane;N-methylmethanamine?
9-chlorohexacosane;N-methylmethanamine has a molecular weight of 446.25 g/mol, XLogP of 10.44, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorohexacosane;N-methylmethanamine is sourced from PubChem (CID 122613288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).